1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C17H15BrClN5OS — CID 66673975

IUPAC1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(Br)c3s2)n1
InChIInChI=1S/C17H15BrClN5OS/c18-11-3-1-2-10-8-13(26-15(10)11)14-12(19)9-22-16(23-14)20-4-6-24-7-5-21-17(24)25/h1-3,8-9H,4-7H2,(H,21,25)(H,20,22,23)
InChIKeyJOZLNWHVAGSSLH-UHFFFAOYSA-N
MW452.77 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 66673975) has the molecular formula C17H15BrClN5OS and a molecular weight of 452.77 g/mol. Its IUPAC name is 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID66673975
Molecular FormulaC17H15BrClN5OS
Molecular Weight452.77 g/mol
Exact Mass450.99
IUPAC Name1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(Br)c3s2)n1
InChIInChI=1S/C17H15BrClN5OS/c18-11-3-1-2-10-8-13(26-15(10)11)14-12(19)9-22-16(23-14)20-4-6-24-7-5-21-17(24)25/h1-3,8-9H,4-7H2,(H,21,25)(H,20,22,23)
InChIKeyJOZLNWHVAGSSLH-UHFFFAOYSA-N
XLogP4.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[[5-chloro-4-[7-(2-fluoro-5-methyl-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24937882
1-[2-[[4-[7-(5-chloro-2-fluoro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24938010
1-[2-[[5-chloro-4-[7-[5-[(dimethylamino)methyl]-2-fluoro-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936455
1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24938008
1-[2-[[4-[7-(3-ethynyl-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936974
1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936343
2-[[6-fluoro-4-[2-[5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-7-yl]-3-pyridinyl]methylamino]acetonitrile
CID 59267437
1-[2-[[4-[7-[5-(1-azidoethyl)-2-fluoro-4-pyridinyl]-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 91275838
4-(1-benzothiophen-2-yl)-5-chloro-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
CID 68856323
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
CID 72894729
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
CID 107599493

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 66673975) is 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(Br)c3s2)n1.
What is the InChIKey of 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is JOZLNWHVAGSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5OS/c18-11-3-1-2-10-8-13(26-15(10)11)14-12(19)9-22-16(23-14)20-4-6-24-7-5-21-17(24)25/h1-3,8-9H,4-7H2,(H,21,25)(H,20,22,23).
What are the key properties of 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 452.77 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 66673975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).